cis-dibenzo-1,6-diisopropyl-1,6-disilabicyclo<4.4.0>deca-3,8-diene | 144038-43-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: cis-dibenzo-1,6-diisopropyl-1,6-disilabicyclo<4.4.0>deca-3,8-diene
• 英文别名: cis-dibenzo[c,h]-1,6-diisopropyl-1,6-disilabicyclo[4.4.0]deca-3,8-diene
• CAS: 144038-43-7
• 化学式: C₂₂H₃₀Si₂
• 分子量: 350.651
• InChiKey: IYFCKIGLMPDKRH-PSWAGMNNSA-N

物化性质

• 沸点：
  433.0±45.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.54
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1,1,2,2-tetrachloro-1,2-diisopropyldisilane 、 Grignard reagent of o-xylylene dichloride 以 四氢呋喃 为溶剂， 以17%的产率得到cis-dibenzo-1,6-diisopropyl-1,6-disilabicyclo<4.4.0>deca-3,8-diene
  参考文献：
  名称：

  Dibenzo[c,h]-1,6-diisopropyl-1,6-disilabicyclo[4.4.0]deca-3,8-dienes

  摘要：

  制备了顺式和反式二苯并[c,h]-1,6-二异丙基-1,6-二硅杂双环[4.4.0]癸-3,8-二烯。在紫外光谱、循环伏安法和与 TCNE 的电荷转移光谱中发现，这两种异构体中都存在强烈的 σ-π 共轭作用。

  DOI：

  10.1246/cl.1992.1393

文献信息

• Molecular structures and charge-transfer complexes of cis-dibenzo[c,h]-1,6-disilabicyclo[4.4.0]deca-3,8-dienes and bi(benzo[c]silacyclopent-3-ene-1-yl)s
  作者：Soichiro Kyushin、Masanobu Ikarugi、Satoshi Tsunakawa、Yukiko Izumi、Michihiro Miyake、Mitsuo Sato、Hideyuki Matsumoto、Midori Goto

  DOI：10.1016/0022-328x(94)80101-0

  日期：1994.6

  The reaction of the di-Grignard reagent of alpha,alpha'-dichloro-o-xylene with Cl2RSiSiRCl2 (R =(i)Pr and Me) produced cis-dibenzo[c,h]-1,6-dialkyl-1,6-disilabicyclo[4.4.0]deca-3,8-diene (1) and bi(benzo[c]-1-alkylsilacyclopent-3-ene-1-yl) (2). The structures of 1a (R = (i)Pr) and 2a (R =(i)Pr) were determined by X-ray crystallography. Crystal data for 1a: orthorhombic, Pbca, a = 14.816(1), b = 16.263(1), c = 17.257(1) angstrom, V = 4158.1(3) angstrom3, Z = 8, R = 0.040, R(w) = 0.050 for 2008 reflections. Crystal data for 2a: triclinic, P1BAR, a = 8.179(2), b = 10.389(3), c = 6.605(2) angstrom, alpha = 100.39(2)degrees, beta = 98.29(2)degrees, gamma = 106.75(2)degrees, V = 517.0(3) angstrom3, Z = 1, R = 0.042, R(w) = 0.051 for 1167 reflections. Compounds 1 and 2 have relatively low oxidation potentials (1.24-1.59 V vs. SCE, in acetonitrile) and form charge-transfer complexes with tetracyanoethylene (TCNE). In the case of 2a, the charge-transfer complex was isolated as red crystals and the structure was determined by X-ray crystallography. Crystal data for the 2a-TCNE complex: triclinic, P1BAR, a = 6.8399(8), b = 8.2836(6), c = 12.868(1) angstrom, alpha = 84.142(6), beta = 88.737(6)degrees, gamma = 66.801(8), V= 666.5(1) angstrom3, Z = 1, R = 0.038, R(w) = 0.042 for 1554 reflections.